(E)-3-(2-phenoxyphenyl)prop-2-enamide

C15H13NO2 — CID 1490836

IUPAC(E)-3-(2-phenoxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccccc1Oc1ccccc1
InChIInChI=1S/C15H13NO2/c16-15(17)11-10-12-6-4-5-9-14(12)18-13-7-2-1-3-8-13/h1-11H,(H2,16,17)/b11-10+
InChIKeyZYSUKZXLXFAIAP-ZHACJKMWSA-N
MW239.27 g/mol
LogP2.98
Rot. Bonds4

About (E)-3-(2-phenoxyphenyl)prop-2-enamide

(E)-3-(2-phenoxyphenyl)prop-2-enamide (PubChem CID 1490836) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (E)-3-(2-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-phenoxyphenyl)prop-2-enamide
PubChem CID1490836
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(E)-3-(2-phenoxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccccc1Oc1ccccc1
InChIInChI=1S/C15H13NO2/c16-15(17)11-10-12-6-4-5-9-14(12)18-13-7-2-1-3-8-13/h1-11H,(H2,16,17)/b11-10+
InChIKeyZYSUKZXLXFAIAP-ZHACJKMWSA-N
XLogP2.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-phenoxyphenyl)prop-2-enoic acid
CID 737422
(Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide
CID 170876770
(Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide
CID 170876774
(E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid
CID 5399136
2-[2-(3-amino-3-oxoprop-1-enyl)phenoxy]acetic acid
CID 169482271
3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 169482051
3-[2-(4-methylphenoxy)phenyl]prop-2-enoic acid
CID 737486
N-ethyl-3-(2-phenoxyphenyl)prop-2-enamide
CID 70351376
(E)-3-(2-propoxyphenyl)prop-2-enamide
CID 82040605
3-(4-chloro-3-phenoxyphenyl)prop-2-enamide
CID 175380872
N-hydroxy-3-(2-pyridin-3-yloxyphenyl)prop-2-enamide
CID 123230894
methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate
CID 73427465

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-phenoxyphenyl)prop-2-enamide (CID 1490836) is (E)-3-(2-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-phenoxyphenyl)prop-2-enamide is NC(=O)/C=C/c1ccccc1Oc1ccccc1.
What is the InChIKey of (E)-3-(2-phenoxyphenyl)prop-2-enamide?
The InChIKey is ZYSUKZXLXFAIAP-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13NO2/c16-15(17)11-10-12-6-4-5-9-14(12)18-13-7-2-1-3-8-13/h1-11H,(H2,16,17)/b11-10+.
What are the key properties of (E)-3-(2-phenoxyphenyl)prop-2-enamide?
(E)-3-(2-phenoxyphenyl)prop-2-enamide has a molecular weight of 239.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1490836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).